Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MYC | P01106 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | HNF4A | P41235 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL14397455 | 0.88 | KDM4C (0.47) | MYCCYP3A4CYP2C9ALOX12ALDH1A1 | |
| SCHEMBL27624421 | 0.81 | KMT2A (0.42) | CYP3A4ALOX12ALDH1A1ALOX15KDM4E | |
| SCHEMBL2318775 | 0.81 | HPGD (0.45) | MYCALDH1A1KDM4EKMT2AL3MBTL1 | |
| SCHEMBL8861326 | 0.80 | KMT2A (0.41) | ALDH1A1KMT2AL3MBTL1LMNAPOLB | |
| SCHEMBL36145 | 0.79 | ALDH1A1 (0.72) | MYCCYP3A4CYP2C9ALOX12ALDH1A1 | |
| SCHEMBL30028907 | 0.79 | ALDH1A1 (0.72) | MYCCYP3A4CYP2C9ALOX12ALDH1A1 | |
| Phthalic Acid SCHEMBL28292421 | 0.79 | ALDH1A1 (0.58) | ALDH1A1ALOX15KDM4EKMT2AL3MBTL1 | |
| SCHEMBL1549765 | 0.79 | KMT2A (0.46) | KMT2AHNF4ATSHR | |
| SCHEMBL14398057 | 0.77 | POLB (0.50) | MYCCYP3A4CYP2C9ALOX12ALDH1A1 | |
| Hydrochloric Acid SCHEMBL10888462 | 0.77 | ALDH1A1 (0.68) | MYCCYP3A4CYP2C9ALOX12ALDH1A1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109608420-A | A method of functionalization 1,3- butadiene is synthesized based on biomass chemicals | 中国科学院长春应用化学研究所 | 2019-04-12 | — | — | CN | claimed |
| CN-109608420-A | A method of functionalization 1,3- butadiene is synthesized based on biomass chemicals | 中国科学院长春应用化学研究所 | 2019-04-12 | — | — | CN | disclosed |